SCHEMBL3313360

SCHEMBL3313360

CC(=O)Nc1cc(Nc2cc(NCCN3CCOCC3)c3ncc(C#N)n3n2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 4/20 0.45
▸ CSNK2A2 P19784 3/20 0.45
▸ CSNK2B P67870 2/20 0.45
▸ KCNH2 Q12809 2/20 0.43
▸ HIPK2 Q9H2X6 2/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ FGFR4 P22455 1/20 0.41
▸ MAPK14 Q16539 5/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAP3K8 P41279 3/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13422028 0.88 MAPK14 (0.41) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL3311742 0.86 CSNK2A1 (0.46) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL3310314 0.84 KCNH2 (0.44) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL3316260 0.82 KCNH2 (0.46) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL2356827 0.80 CSNK2A1 (0.61) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL3313444 0.80 KCNH2 (0.48) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL13644195 0.79 CSNK2A2 (0.42) CSNK2A2FGFR4MAPK14L3MBTL1MAP3K8
SCHEMBL11996471 0.79 MAPK14 (0.40) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL12012940 0.78 MAPK14 (0.41) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL2359143 0.78 CSNK2A1 (0.52) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US claimed
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-26 — — US disclosed
EP-2350081-B1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-03 — — EP disclosed
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US disclosed
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US disclosed
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US disclosed
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — US disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — US disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A1 88/4885CSNK2A2 135/4885CSNK2B 140/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A1 88/4885CSNK2A2 135/4885CSNK2B 140/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A1 88/4885CSNK2A2 135/4885CSNK2B 140/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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